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added 1 step global methane oxidation reaction

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ignis 2018-01-24 03:38:51 +09:00
parent 186f6ab014
commit 981eaf2dfd
2 changed files with 149 additions and 0 deletions
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20
constant/methane-1step/reactions Normal file
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species
(
O2
H2O
CH4
CO2
N2
);
reactions
{
methaneReaction
{
type irreversibleArrheniusReaction;
reaction "CH4 + 2O2 = CO2 + 2H2O";
A 5.2e16;
beta 0;
Ta 14906;
}
}

129
constant/methane-1step/thermo.compressibleGas Normal file
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/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 2.4.0 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object thermo.compressibleGas;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
O2
{
specie
{
nMoles 1;
molWeight 31.9988;
}
thermodynamics
{
Tlow 200;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 3.69758 0.00061352 -1.25884e-07 1.77528e-11 -1.13644e-15 -1233.93 3.18917 );
lowCpCoeffs ( 3.21294 0.00112749 -5.75615e-07 1.31388e-09 -8.76855e-13 -1005.25 6.03474 );
}
transport
{
As 1.67212e-06;
Ts 170.672;
}
}
H2O
{
specie
{
nMoles 1;
molWeight 18.0153;
}
thermodynamics
{
Tlow 200;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 2.67215 0.00305629 -8.73026e-07 1.201e-10 -6.39162e-15 -29899.2 6.86282 );
lowCpCoeffs ( 3.38684 0.00347498 -6.3547e-06 6.96858e-09 -2.50659e-12 -30208.1 2.59023 );
}
transport
{
As 1.67212e-06;
Ts 170.672;
}
}
CH4
{
specie
{
nMoles 1;
molWeight 16.0428;
}
thermodynamics
{
Tlow 200;
Thigh 6000;
Tcommon 1000;
highCpCoeffs ( 1.63543 0.0100844 -3.36924e-06 5.34973e-10 -3.15528e-14 -10005.6 9.9937 );
lowCpCoeffs ( 5.14988 -0.013671 4.91801e-05 -4.84744e-08 1.66694e-11 -10246.6 -4.64132 );
}
transport
{
As 1.67212e-06;
Ts 170.672;
}
}
CO2
{
specie
{
nMoles 1;
molWeight 44.01;
}
thermodynamics
{
Tlow 200;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 4.45362 0.00314017 -1.27841e-06 2.394e-10 -1.66903e-14 -48967 -0.955396 );
lowCpCoeffs ( 2.27572 0.00992207 -1.04091e-05 6.86669e-09 -2.11728e-12 -48373.1 10.1885 );
}
transport
{
As 1.67212e-06;
Ts 170.672;
}
}
N2
{
specie
{
nMoles 1;
molWeight 28.0134;
}
thermodynamics
{
Tlow 200;
Thigh 5000;
Tcommon 1000;
highCpCoeffs ( 2.92664 0.00148798 -5.68476e-07 1.0097e-10 -6.75335e-15 -922.798 5.98053 );
lowCpCoeffs ( 3.29868 0.00140824 -3.96322e-06 5.64152e-09 -2.44486e-12 -1020.9 3.95037 );
}
transport
{
As 1.67212e-06;
Ts 170.672;
}
}
// ************************************************************************* //